Atrasentan - Moligand™,≥98% , Antagonist of ET A receptor;Antagonist of ET B receptor, CAS No.173937-91-2, Antagonist of ET A receptor;Antagonist of ET B receptor

CAS: 173937-91-2 Cat. No.: A125773 Formula: C₂₉H₃₈N₂O₆ Peso molecolare: 510.62 Numero EC: 681-642-4

QUALITÀ & PUREZZA Moligand™, ≥98%

Synonyms

ABT 627 | V6D7VK2215 | Q125083 | 2R-(4-methoxyphenyl)-4S(1,N-di(n-butyl)aminocarbonyl-methyl)-pyrrolidine-3R-carboxylic acid | Atrasentan | (2R,3R,4S)-1-((DIBUTYLCARBAMOYL)METHYL)-2-(P-METHOXYPHENYL)-4-(3,4-(METHYLENEDIOXY)PHENYL)-3-PYRROLIDINECARBOXYLIC

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Atrasentan (ABT-627) is an endothelin receptor antagonist with IC50 of 0.0551 nM for ETA.

Specifiche

Sinonimi

ABT 627 | V6D7VK2215 | Q125083 | 2R-(4-methoxyphenyl)-4S(1,N-di(n-butyl)aminocarbonyl-methyl)-pyrrolidine-3R-carboxylic acid | Atrasentan | (2R,3R,4S)-1-((DIBUTYLCARBAMOYL)METHYL)-2-(P-METHOXYPHENYL)-4-(3,4-(METHYLENEDIOXY)PHENYL)-3-PYRROLIDINECARBOXYLIC

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

Selective endothelin ETA receptor antagonist Atrasentan is a selective endothelin ETA receptor antagonist, with an IC50 of 0.2 nM for ETA and 190 nM for ETB receptors. It inhibits endothelin-induced cell proliferation and has been studied as a potential t

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of ET A receptor;Antagonist of ET B receptor

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

IUPAC Name

(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

InChIKey

MOTJMGVDPWRKOC-QPVYNBJUSA-N

INCHI

1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1

Isomeri SMILES

CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Peso molecolare

510.62

Reaxy-Rn

13598090

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13598090&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Alpha amino acids and derivatives Benzodioxoles Anisoles Pyrrolidine carboxylic acids Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Pyrroles Tertiary carboxylic acid amides Amino acids Trialkylamines Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Azacyclic compounds Acetals Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpyrrolidine - Alpha-amino acid or derivatives - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Pyrrolidine carboxylic acid - Methoxybenzene - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxamide group - Azacycle - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

EDNRA Tclin Endothelin-1 receptor (8 Activities)

Discover Target: EDNRA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EDNRB Tclin Endothelin receptor type B (3 Activities)

Discover Target: EDNRB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EDNRB Tclin Endothelin receptor ET-B (1928 Activities)

Discover Target: EDNRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EDNRA Tclin Endothelin receptor ET-A (5008 Activities)

Discover Target: EDNRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EDNRB Tclin Endothelin receptor, ET-A/ET-B (286 Activities)

Discover Target: EDNRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Oryctolagus cuniculus (11301 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Ednra Endothelin receptor (172 Activities)

Discover Target: Ednra

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: 25°C: DMSO
• Sensibilità: Moisture sensitive
• Peso molecolare: 510.600 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 510.273 Da
• Monoisotopic Mass: 510.273 Da
• Topological Polar Surface Area: 88.500 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 734.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 173937-91-2, the molecular formula is C29H38N2O6, and the molecular weight is 510.62 g/mol. InChIKey MOTJMGVDPWRKOC-QPVYNBJUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.